(2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone

C12H20FNO — CID 58394809

IUPAC(2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCCN(C(=O)C2CC2F)C1
InChIInChI=1S/C12H20FNO/c1-8(2)9-4-3-5-14(7-9)12(15)10-6-11(10)13/h8-11H,3-7H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyHESHZLIGHLQDOF-KPPDAEKUSA-N
MW213.30 g/mol
LogP2.24
Rot. Bonds2

About (2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone

(2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone (PubChem CID 58394809) has the molecular formula C12H20FNO and a molecular weight of 213.30 g/mol. Its IUPAC name is (2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone
PubChem CID58394809
Molecular FormulaC12H20FNO
Molecular Weight213.30 g/mol
Exact Mass213.15
IUPAC Name(2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone
SMILESCC(C)[C@@H]1CCCN(C(=O)C2CC2F)C1
InChIInChI=1S/C12H20FNO/c1-8(2)9-4-3-5-14(7-9)12(15)10-6-11(10)13/h8-11H,3-7H2,1-2H3/t9-,10?,11?/m1/s1
InChIKeyHESHZLIGHLQDOF-KPPDAEKUSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
The IUPAC name of (2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone (CID 58394809) is (2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone.
What is the SMILES notation for (2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
The canonical SMILES for (2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone is CC(C)[C@@H]1CCCN(C(=O)C2CC2F)C1.
What is the InChIKey of (2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
The InChIKey is HESHZLIGHLQDOF-KPPDAEKUSA-N. The full InChI is InChI=1S/C12H20FNO/c1-8(2)9-4-3-5-14(7-9)12(15)10-6-11(10)13/h8-11H,3-7H2,1-2H3/t9-,10?,11?/m1/s1.
What are the key properties of (2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone?
(2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone has a molecular weight of 213.30 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorocyclopropyl)-[(3S)-3-propan-2-ylpiperidin-1-yl]methanone is sourced from PubChem (CID 58394809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).